1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C22H18N4O2 — CID 46387996

IUPAC1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1cccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C22H18N4O2/c1-15-7-5-11-18(13-15)23-22(27)24-19-12-6-10-17(14-19)21-26-25-20(28-21)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27)
InChIKeySEMVPPDCVYTCBM-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.36
Rot. Bonds4

About 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 46387996) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID46387996
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1cccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C22H18N4O2/c1-15-7-5-11-18(13-15)23-22(27)24-19-12-6-10-17(14-19)21-26-25-20(28-21)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27)
InChIKeySEMVPPDCVYTCBM-UHFFFAOYSA-N
XLogP5.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50830004
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46388056
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-methylphenyl)urea
CID 20960287
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 46387996) is 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1cccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is SEMVPPDCVYTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-7-5-11-18(13-15)23-22(27)24-19-12-6-10-17(14-19)21-26-25-20(28-21)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27).
What are the key properties of 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 370.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 46387996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).